Lactose-3'-sulfate

Chemical Information
Beta-D-Galp3S-(1->4)-D-Glcp is an oligosaccharide sulfate consisting of a 3-O-sulfo-beta-D-galactopyranose residue and a D-glucopyranose residue joined in sequence by a (14) glycosidic bond. It is an oligosaccharide sulfate and a glycosylglucose derivative. It is functionally related to a D-glucopyranose and a 3-O-sulfo-beta-D-galactose.
| CAS Number | 159358-51-7 |
| PubChem CID | 71749715 |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate |
| Molecular Formula | C12H22O14S |
| Molecular Weight | 422.36 |
| XLogP | -5.1 |
| Topological Polar Surface Area | 241 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 579 |
| Property | Value |
|---|---|
| Molecular Weight | 422.36 |
| XLogP3 | -5.1 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 6 |
| Exact Mass | 422.07302654 |
| Monoisotopic Mass | 422.07302654 |
| Topological Polar Surface Area | 241 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 579 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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